(phenylmethyl) 3-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate

Systemtic Name: (phenylmethyl) 3-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate Openeye Name: benzyl 3-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate CAS Name: 3-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate Traditional Name: 3-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid benzyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c24-23(25)26-14-16-9-11-18(12-10-16)22(28)30-20-8-4-7-19(13-20)21(27)29-15-17-5-2-1-3-6-17/h1-8,13,16,18H,9-12,14-15H2,(H4,24,25,26)